Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Ligand

NameCHEMBL3942310
Molecular formulaC19H21FN4O3
IUPAC name6-ethyl-4-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide
Molecular weight372.4
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP0.9
SynonymsN/A
Inchi KeyBHJZDDKQAABURI-KRWDZBQOSA-N
Inchi IDInChI=1S/C19H21FN4O3/c1-2-12-7-11(8-16(23-12)18(21)25)19(26)24-13-3-4-14(15(20)9-13)17-10-22-5-6-27-17/h3-4,7-9,17,22H,2,5-6,10H2,1H3,(H2,21,25)(H,24,26)/t17-/m0/s1
PubChem CID134146108
ChEMBLCHEMBL3942310
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548162Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
548163Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417